SCHEMBL9055355

SCHEMBL9055355

CN(C)S(=O)(=O)c1cc2c(c3c1CCCC3)NC(=O)C2=NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
FLT3 P36888 2/20 0.31
PDPK1 O15530 1/20 0.31
ROCK2 O75116 1/20 0.31
FES P07332 1/20 0.31
FER P16591 1/20 0.31
MARK3 P27448 1/20 0.31
MAP4K2 Q12851 1/20 0.31
PKN2 Q16513 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
SLK Q9H2G2 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9056288 0.87 ALDH1A1 (0.41) CA1CA2CA4CA7MEN1
SCHEMBL9056121 0.84 CES1 (0.39) GRIA1GRIA2GRIA3GRIA4FLT3
SCHEMBL9056705 0.84 SMN1; SMN2 (0.34) CA1CA2CA4CA7ALDH1A1
Hydrochloric Acid SCHEMBL8327819 0.83 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8327814 0.83 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4
SCHEMBL2050673 0.83 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4FLT3
SCHEMBL2947383 0.83 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4FLT3
SCHEMBL9472971 0.83 POLB (0.40) CA1CA2CA4CA7FYN
SCHEMBL9472968 0.83 POLB (0.40) CA1CA2CA4CA7FYN
Hydrochloric Acid SCHEMBL3142414 0.82 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522494-B1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1996-10-02 EP claimed
US-5223527-A Isatineoxime derivatives and their use NEUROSEARCH A/S (DK) 1993-06-29 US claimed
EP-0522494-A1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-01-13 EP claimed
EP-0522494-B1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1996-10-02 EP disclosed
US-5223527-A Isatineoxime derivatives and their use NEUROSEARCH A/S (DK) 1993-06-29 US disclosed
EP-0522494-A1 Novel isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-01-13 EP disclosed